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BDBM50196457 (2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6-oxohexahydro-2-pyridinylcarboxamido]propanoyl}azoazolane-2-carboxamide::CHEMBL390942

InChI string: InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1

SMILES: CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1

InChI Key: InChIKey=UMBWWQUDQBOTPC-KKUMJFAQSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50196457   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thyrotropin-releasing hormone receptor


(Homo sapiens)
BDBM50196457
PNG
((2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1
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PC sid
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Article
PubMed
11n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR1


Bioorg Med Chem 15: 433-43 (2006)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50196457
PNG
((2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1
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PC sid
UniChem

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Article
PubMed
34n/an/an/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Displacement of [3H]N(1)-Me-His-TRH from TRHR2


Bioorg Med Chem 15: 433-43 (2006)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor 2


(Rattus norvegicus)
BDBM50196457
PNG
((2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 2.80n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR2 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Bioorg Med Chem 15: 433-43 (2006)

More data for this
Ligand-Target Pair
Thyrotropin-releasing hormone receptor


(Homo sapiens)
BDBM50196457
PNG
((2S)-1-{(2S)-3-(1-ethyl-1H-4-imidazolyl)-2-[(2S)-6...)
Show SMILES CCn1cnc(C[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Show InChI InChI=1S/C19H28N6O4/c1-2-24-10-12(21-11-24)9-14(19(29)25-8-4-6-15(25)17(20)27)23-18(28)13-5-3-7-16(26)22-13/h10-11,13-15H,2-9H2,1H3,(H2,20,27)(H,22,26)(H,23,28)/t13-,14-,15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 14n/an/an/an/a



National Institute of Pharmaceutical Education and Research

Curated by ChEMBL


Assay Description
Agonist activity at TRHR1 expressed in HEK293EM cells assessed as activation potency by measuring CREB-luciferase reporter activity


Bioorg Med Chem 15: 433-43 (2006)

More data for this
Ligand-Target Pair